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(1R,6S)-Dimethyl 6-hydroxycyclohepta-2,4-dienyl-1-malonate
SpectraBase Compound ID AH2IDKaaP2j
InChI InChI=1S/C12H16O5/c1-16-11(14)10(12(15)17-2)8-5-3-4-6-9(13)7-8/h3-6,8-10,13H,7H2,1-2H3/t8-,9+/m0/s1
InChIKey GSWKKARHJSOHFZ-DTWKUNHWSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fy90n5E37e2
Name (1R,6S)-Dimethyl 6-hydroxycyclohepta-2,4-dienyl-1-malonate
Alternate Name(s) Dimethyl 2-[(1R,6S)-6-hydroxy-2,4-cycloheptadien-1-yl]malonate Dimethyl 6-hydroxycyclohepta-2,4-dienyl-1-malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-16-11(14)10(12(15)17-2)8-5-3-4-6-9(13)7-8/h3-6,8-10,13H,7H2,1-2H3/t8-,9+/m0/s1
InChIKey GSWKKARHJSOHFZ-DTWKUNHWSA-N
Molecular Weight 240.255 g/mol
SMILES O[C@@]1(C=CC=C[C@](C(C(=O)OC)C(=O)OC)(C1)[H])[H]
SPLASH splash10-0a4l-3900000000-380b40f891ea50c23970
Source of Spectrum F3-24-97-6
Wiley ID 1528291